SCHEMBL14553287

SCHEMBL14553287

Fc1ccc(-n2ncnc2-c2cc3c(s2)-c2nc(CI)ccc2OCC3)c(F)c1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.66
PIK3C3 Q8NEB9 2/20 0.47
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12341854 0.90 PIK3CA (0.64) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL12339379 0.90 PIK3CA (0.63) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL11898264 0.90 PIK3CA (0.63) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517481 0.89 PIK3CA (0.62) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517658 0.88 PIK3CA (0.70) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517739 0.87 PIK3CA (0.61) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1042781 0.87 PIK3CA (0.69) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517696 0.87 PIK3CA (0.60) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517708 0.87 PIK3CA (0.60) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG
SCHEMBL1517659 0.87 PIK3CA (0.60) PIK3CAPIK3C3PIK3CDPIK3CBPIK3CG

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE BLAQUIERE NICOLE (US) 2013-01-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130012488-A1 BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3R2 PIK3CA 1/4885PIK3C3 24/4885PIK3CD 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.